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Software Applications

The Core Facility is a member of the SBGrid Consortium which provides access to the latest versions of over 280 structural biology software packages including the popular ones for crystallography, SAXS and molecular modeling. 

Software tutorials and step-by-step instructions are available for trained and approved investigators under the "Investigator Resources" link at left.

The following software applications are available for investigator use on facility instrumentation.

Data Collection

Software Version
Structure Studio 2.0

Data Processing

Software Version
d*TREK 9.9L
XDS  
mosflm  
imosflm  
adxv 1.9.6

Structure Determination

Software Version
ARP/wARP 7.0.1
BnP 1.02
Buster  
CCP4 suite 6.3.0
CNS 1.21
Phaser 2.1.2
Phenix 1.6-289
SHARP 2.6.0
autoSHARP 3.8.0
SHELX SHELX-97
SnB 2.3
SOLVE/RESOLVE 2.13

Model Fitting

Software Version
O 13.0
Coot 0.6

Visualization

Software Version
PyMOL 1.5
Yasara 9.11.9
Chimera 1.4
DiscoveryStudio 2.5
Sybyl 8.1

Modeling

Software Version  
AutoDock 4.0.1
AutoDockTools 1.5.2-30
Ligplot 4.4.2
Modeller 10
Dock 6.2
zdock 3.0.1
APBS 1.10

Other Tools

Software Version
USF  
WHATIF  
CAVER  
RASMOL  
ClustalW  
naccess 2.1.1
BioPython 1.51b
ATSAS (SAXS) 2.3.1-2